SCHEMBL9543455

SCHEMBL9543455

COc1ccccc1CCN(CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)O)C(=O)[C@H]1Cc2ccccc2N1C(=O)OC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.39
HTR1A P08908 2/20 0.38
HTR7 P34969 2/20 0.38
DRD2 P14416 1/20 0.38
DRD4 P21917 1/20 0.38
TDP1 Q9NUW8 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ACE P12821 2/20 0.37
MAPT P10636 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9545071 0.92 DRD2 (0.37) HTR1AHTR7DRD2DRD4MAPT
SCHEMBL9543213 0.89 ACE (0.43) POLBTDP1L3MBTL1ACE
SCHEMBL9543363 0.88 DRD2 (0.41) DRD2DRD4MAPT
SCHEMBL9542641 0.86 ACE (0.43) POLBTDP1ACE
SCHEMBL9542696 0.85 LMNA (0.42) DRD2DRD4MAPT
SCHEMBL9543221 0.82 DRD2 (0.35) POLBHTR1AHTR7DRD2DRD4
SCHEMBL9543406 0.80 PTPN1 (0.38) ACE
SCHEMBL9543510 0.80 ALDH1A1 (0.43) DRD2DRD4
SCHEMBL9542741 0.79 CFTR (0.37) MAPT
SCHEMBL9542729 0.78 ACE (0.36) ACE

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1993020099-A2 CCK AND/OR GASTRIN RECEPTOR LIGANDS FERRING B.V. (NL) 1993-10-14 WO disclosed